ethyl 1-[2-(3,4-dimethoxyphenyl)ethylcarbamothioyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-(3,4-dimethoxyphenyl)ethylcarbamothioyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-(3,4-dimethoxyphenyl)ethylcarbamothioyl]piperidine-4-carboxylate CAS Name: 1-[[2-(3,4-dimethoxyphenyl)ethylamino]-sulfanylidenemethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(3,4-dimethoxyphenyl)ethylcarbamothioyl]piperidine-4-carboxylate Traditional Name: 1-(homoveratrylthiocarbamoyl)isonipecotic acid ethyl ester Formula: C19H28N2O4S MolecularWeight: 380.50162

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=S)NCCC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=S)NCCC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C19H28N2O4S/c1-4-25-18(22)15-8-11-21(12-9-15)19(26)20-10-7-14-5-6-16(23-2)17(13-14)24-3/h5-6,13,15H,4,7-12H2,1-3H3,(H,20,26)